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首页> 外文期刊>The journal of physical chemistry, A. Molecules, spectroscopy, kinetics, environment, & general theory >CO activation on the late lanthanide dimers: Matrix infrared spectra of the Ln(2)[eta(2) (mu(2)-C, O)](x) (Ln = Tb, Dy, Ho, Er, Lu; x=1, 2) molecules
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CO activation on the late lanthanide dimers: Matrix infrared spectra of the Ln(2)[eta(2) (mu(2)-C, O)](x) (Ln = Tb, Dy, Ho, Er, Lu; x=1, 2) molecules

机译:晚期镧系元素二聚体上的CO活化:Ln(2)[eta(2)(mu(2)-C,O)](x)的矩阵红外光谱(Ln = Tb,Dy,Ho,Er,Lu; x = 1,2)分子

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摘要

Reactions of laser-ablated late lanthanide atoms (Th, Dy, Ho, Er, Tm, Yb, and Lu) with dilute carbon monoxide molecules in solid argon have been investigated using matrix-isolation infrared spectroscopy. The Ln(2)[eta(2)(mu(2)-C, O)](x) (Ln = Tb, Dy, Ho, Er, Lu; x = 1, 2) molecules are observed upon sample annealing, whereas no product is observed for Tm and Yb. The C-O stretching frequencies in these dilanthanide carbonyls range from 1100 to 1300 cm(-1), far below the value of free CO in the gas phase (2143.5 cm(-1)), implying that the C-O bonds are highly activated. Density functional theory calculations have been performed on these products. These Ln(2)[eta(2)(mu(2)-C, O)], molecules are predicted to have planar structures, which carry asymmetrically bridging CO moieties that are tilted to the side.
机译:使用基质隔离红外光谱研究了激光烧蚀的晚期镧系原子(Th,Dy,Ho,Er,Tm,Yb和Lu)与稀氩中一氧化碳分子的反应。在样品退火后观察到Ln(2)[eta(2)(mu(2)-C,O)](x)(Ln = Tb,Dy,Ho,Er,Lu; x = 1,2)分子,而没有观察到Tm和Yb的乘积。这些二镧系元素羰基的C-O拉伸频率范围为1100至1300 cm(-1),远低于气相中游离CO的值(2143.5 cm(-1)),这意味着C-O键被高度活化。对这些产品进行了密度泛函理论计算。这些Ln(2)[eta(2)(mu(2)-C,O)]分子被预测为具有平面结构,这些结构带有不对称桥连的CO部分,该部分向侧面倾斜。

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